1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride

C6H11ClN2O — CID 55254704

IUPAC1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
SMILESCCC(O)c1ncc[nH]1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-5,9H,2H2,1H3,(H,7,8);1H
InChIKeyWZRMYJSKIVQZMS-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.27
Rot. Bonds2

About 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride

1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride (PubChem CID 55254704) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
PubChem CID55254704
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
SMILESCCC(O)c1ncc[nH]1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-5,9H,2H2,1H3,(H,7,8);1H
InChIKeyWZRMYJSKIVQZMS-UHFFFAOYSA-N
XLogP1.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride (CID 55254704) is 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride is CCC(O)c1ncc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
The InChIKey is WZRMYJSKIVQZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-5,9H,2H2,1H3,(H,7,8);1H.
What are the key properties of 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride?
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 55254704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).